2-thiophen-2-yl-3H-quinazolin-4-one

C12H8N2OS — CID 135415499

IUPAC2-thiophen-2-yl-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cccs2)nc2ccccc12
InChIInChI=1S/C12H8N2OS/c15-12-8-4-1-2-5-9(8)13-11(14-12)10-6-3-7-16-10/h1-7H,(H,13,14,15)
InChIKeySVVNZCGMBNAQFW-UHFFFAOYSA-N
MW228.28 g/mol
LogP2.65
Rot. Bonds1

About 2-thiophen-2-yl-3H-quinazolin-4-one

2-thiophen-2-yl-3H-quinazolin-4-one (PubChem CID 135415499) has the molecular formula C12H8N2OS and a molecular weight of 228.28 g/mol. Its IUPAC name is 2-thiophen-2-yl-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-thiophen-2-yl-3H-quinazolin-4-one
PubChem CID135415499
Molecular FormulaC12H8N2OS
Molecular Weight228.28 g/mol
Exact Mass228.04
IUPAC Name2-thiophen-2-yl-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cccs2)nc2ccccc12
InChIInChI=1S/C12H8N2OS/c15-12-8-4-1-2-5-9(8)13-11(14-12)10-6-3-7-16-10/h1-7H,(H,13,14,15)
InChIKeySVVNZCGMBNAQFW-UHFFFAOYSA-N
XLogP2.65
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(thiophen-2-ylmethyl)cyclopropanecarboxamide
CID 135429093
4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,5,6,7,8,9-hexahydro-2-phenyl-
CID 833735
N-[4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl]thiophene-2-carboxamide
CID 135414635
N-[(4-Oxo-3,4-Dihydroquinazolin-2-Yl)methyl]-3-Phenyl-N-(Thiophen-2-Ylmethyl)propanamide
CID 135478170
N-[2-(phenylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 715970
2-[[2-(3-Methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide
CID 5239489
N-(2-methyl-4-oxoquinazolin-3(4H)-yl)-2-({[(1E)-1-(thiophen-2-yl)ethylidene]amino}oxy)acetamide
CID 9655585
2,6-diphenylthieno[2,3-d]pyrimidin-4(3H)-one
CID 705286
2-Methyl-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 730299
2-methyl-3-(2-methylphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
CID 901616
3-Cyclopropyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylquinazolin-4-one
CID 8979981
2-(Benzylsulfanyl)thieno[3,2-d]pyrimidin-4-ol
CID 135439659

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-3H-quinazolin-4-one?
The IUPAC name of 2-thiophen-2-yl-3H-quinazolin-4-one (CID 135415499) is 2-thiophen-2-yl-3H-quinazolin-4-one.
What is the SMILES notation for 2-thiophen-2-yl-3H-quinazolin-4-one?
The canonical SMILES for 2-thiophen-2-yl-3H-quinazolin-4-one is O=c1[nH]c(-c2cccs2)nc2ccccc12.
What is the InChIKey of 2-thiophen-2-yl-3H-quinazolin-4-one?
The InChIKey is SVVNZCGMBNAQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2OS/c15-12-8-4-1-2-5-9(8)13-11(14-12)10-6-3-7-16-10/h1-7H,(H,13,14,15).
What are the key properties of 2-thiophen-2-yl-3H-quinazolin-4-one?
2-thiophen-2-yl-3H-quinazolin-4-one has a molecular weight of 228.28 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-3H-quinazolin-4-one is sourced from PubChem (CID 135415499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).